Geometry & MOs

Info

ID:	371943
PubChem CID:	131281806
Reduced:	NO4H9C11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	7.83
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CNC(=C2C=CC(=O)C=C2)O1

DOS

IR

Vibrations